Molecule

ID:69771

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₄O₃
Molecular Mass
346.50356
Exact Mass
346.25079495
Charge
0
InChI
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
InChIKey
YXHVCZZLWZYHSA-FPLPWBNLSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCc1cccc(c1C(=O)O)O
Isomeric Smiles
C(=O)(c1c(cccc1CCCCCCC/C=C\CCCCCC)O)O
Calculated Properties
JChem
Acid pKa
2.6407335
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.576968
LogD (pH = 7.4)
4.8481092
Log P
8.352724
Molar Refractivity
105.8669
Polarizability
40.572037
Polar Surface Area
57.53
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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